General Information of the Compound
| Compound ID |
CP0410807
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| Compound Name |
5-methyl-2-[(3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+
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| InChIKey |
OTCIZTDNRWBZJS-REZTVBANSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5